124-13-0

正辛醛(124-13-0)紅外圖譜(IR1)

產(chǎn)品名稱:正辛醛

CAS:124-13-0

分子式:C8H16O

分子量: 128.21

InChI:InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N

Smiles:C(=O)CCCCCCC

Mass

MS-NW-2944          
octanal
C8H16O              (Mass of molecular ion:    128)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.5
      18.0       1.4
      26.0       2.0
      27.0      32.4
      28.0       7.5
      29.0      45.9
      30.0       1.6
      31.0       2.0
      32.0       1.0
      39.0      18.4
      40.0       3.5
      41.0      67.1
      42.0      40.3
      43.0     100.0
      44.0      80.9
      45.0      21.2
      51.0       1.1
      53.0       3.9
      54.0       7.7
      55.0      51.0
      56.0      65.8
      57.0      51.4
      58.0       6.1
      59.0       1.0
      60.0       3.4
      66.0       3.5
      67.0      17.1
      68.0      23.4
      69.0      28.3
      70.0       3.3
      71.0      10.3
      72.0       7.7
      73.0       2.5
      81.0      20.4
      82.0      21.5
      83.0       2.8
      84.0      55.1
      85.0      18.8
      86.0       2.1
      95.0       6.7
      99.0       2.7
     100.0      10.3
     101.0       1.1
     110.0       7.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
octanal

    Assign.     Shift(ppm)

      A             9.758
      B             2.41
      C             1.63
      D             1.30
      E             0.88

     Hz     ppm     Int.

    875.94   9.781    347
    874.06   9.760    715
    872.18   9.739    368
    225.24   2.515     81
    224.30   2.505     78
    223.36   2.494    106
    222.42   2.484     84
    217.55   2.430    218
    215.76   2.410    212
    210.89   2.355    144
    210.21   2.348    184
    209.01   2.334    153
    208.33   2.327    179
    153.04   1.709     77
    152.01   1.698     74
    151.07   1.687     67
    150.31   1.679     67
    149.19   1.666     69
    147.14   1.643     92
    145.86   1.629    112
    145.18   1.622    110
    142.44   1.591     82
    141.93   1.585     79
    141.16   1.577     88
    140.31   1.567     92
    139.28   1.556     89
    138.94   1.552     90
    138.60   1.548     90
    137.74   1.538     90
    133.98   1.496     77
    133.47   1.491     78
    131.85   1.473     90
    130.48   1.457     92
    130.14   1.454     93
    129.54   1.447     95
    126.12   1.409    127
    122.71   1.371    212
    116.55   1.302    993
    115.70   1.292   1000
    101.17   1.130     34
    100.83   1.126     33
     86.39   0.965    113
     84.51   0.944    191
     84.00   0.938    188
     79.04   0.883    665
     73.06   0.816    136
     68.87   0.769     43

in CDCl3